Research workbench
Structural mechanism for the fine-tuning of ccpa function by the small molecule effectors G6P and fbp
Analyse Structural mechanism for the fine-tuning of ccpa function by the small molecule… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2NZU
- Type
- protein
- Length
- 362 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catabolite control protein; Phosphocarrier protein hpr
- UniProt
- P46828, O69250
- Ligands
- BG6, SO4
- Pockets
- 4 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| G | Catabolite control protein | protein | 275 | 42% helix, 19% strand | P46828 |
| L | Phosphocarrier protein hpr | protein | 87 | 37% helix, 30% strand | O69250 |
Ligands and binding sites
- BG6 · 6-O-phosphono-beta-D-glucopyranose · sugar · chains G
- SO4 · Sulfate ion · ion · 9 copies · chains G, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 154 | 0.63 | 0.85 | 29 | BG6 |
| 2 | 228 | 0.58 | 0.80 | 28 | SO4 |
| 3 | 86 | 0.39 | 0.77 | 25 | empty |
| 4 | 54 | 0.28 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- G–L · 687 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 2NZU · Structural mechanism for the fine-tuning of CcpA function by the small molecule effectors… · the same entry in another collection · chain G against G, TM-score 1.00
- P46828 · AlphaFold monomer V2.0 prediction for catabolite control protein a (P46828) · a predicted model of the same protein · chain G against A, TM-score 0.99
- O69250 · AlphaFold monomer V2.0 prediction for phosphocarrier protein hpr (O69250) · a predicted model of the same protein · chain L against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P46828
- Every structure of UniProt O69250
- Elsewhere: RCSB PDB 2NZU · PDBe 2NZU · UniProt P46828 · UniProt O69250
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